• Formula : Fe11Mo6C5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.865
    b = 7.767
    c = 6.559
    α = 90.0
    β = 120.13
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 192
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.608
    Topological Z2 indices ν = (1;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 61141

Band structure with spin-orbit coupling